ACCESSION: MSBNK-BAFG-CSL2311094881
RECORD_TITLE: Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide; LC-ESI-QTOF; MS2; 100 V
DATE: 2023.11.09
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide
CH$COMPOUND_CLASS: Industrial_process
CH$FORMULA: C₂₂H₂₁O₂P
CH$EXACT_MASS: 348.1279
CH$SMILES: Cc1cc(C)c(c(C)c1)C(=O)[P](=O)(c2ccccc2)c3ccccc3
CH$IUPAC: InChI=1S/C22H21O2P/c1-16-14-17(2)21(18(3)15-16)22(23)25(24,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15H,1-3H3
CH$LINK: CAS 75980-60-8
CH$LINK: INCHIKEY VFHVQBAGLAREND-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 5600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 100
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 14.088 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 349.1352
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-00mo-9500000000-21c0bb7ec8f690df63a2
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  51.0293 4.5 18
  65.0431 50.6 202
  77.0422 104.8 420
  78.0495 29.1 116
  79.0567 19.8 79
  91.0568 249.2 999
  93.0712 10.2 40
  102.0473 4.6 18
  103.055 45.6 182
  104.0627 48.5 194
  115.0543 38.2 153
  117.0702 34.8 139
  119.086 88.6 355
  147.0807 6.6 26
//